(Z)-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide

C23H24ClN3O — CID 19295398

IUPAC(Z)-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide
SMILESCc1nn(CCCNC(=O)/C(=C\c2ccccc2)c2ccccc2)c(C)c1Cl
InChIInChI=1S/C23H24ClN3O/c1-17-22(24)18(2)27(26-17)15-9-14-25-23(28)21(20-12-7-4-8-13-20)16-19-10-5-3-6-11-19/h3-8,10-13,16H,9,14-15H2,1-2H3,(H,25,28)/b21-16-
InChIKeyBQUQRVBRKLBPEM-PGMHBOJBSA-N
MW393.92 g/mol
LogP4.90
Rot. Bonds7

About (Z)-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide

(Z)-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide (PubChem CID 19295398) has the molecular formula C23H24ClN3O and a molecular weight of 393.92 g/mol. Its IUPAC name is (Z)-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide
PubChem CID19295398
Molecular FormulaC23H24ClN3O
Molecular Weight393.92 g/mol
Exact Mass393.16
IUPAC Name(Z)-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide
SMILESCc1nn(CCCNC(=O)/C(=C\c2ccccc2)c2ccccc2)c(C)c1Cl
InChIInChI=1S/C23H24ClN3O/c1-17-22(24)18(2)27(26-17)15-9-14-25-23(28)21(20-12-7-4-8-13-20)16-19-10-5-3-6-11-19/h3-8,10-13,16H,9,14-15H2,1-2H3,(H,25,28)/b21-16-
InChIKeyBQUQRVBRKLBPEM-PGMHBOJBSA-N
XLogP4.90
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide
CID 19327946
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-pyridin-3-ylacetamide
CID 91778395
(Z)-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,3-diphenylprop-2-enamide
CID 19335964
(Z)-N-[3-(4-bromopyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide
CID 19295838
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-(1,3-dioxoisoindol-2-yl)benzamide
CID 19295428
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylbenzamide
CID 19295543
1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-(3-chlorophenyl)urea
CID 17297927
2-[3-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500222
(E)-N-(2-methoxyethyl)-2,3-diphenylprop-2-enamide
CID 19174350
2,3-diphenyl-N-(2-phenylethyl)prop-2-enamide
CID 2897013
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-[(4-chlorophenoxy)methyl]benzamide
CID 19295429
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
CID 19521341

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide?
The IUPAC name of (Z)-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide (CID 19295398) is (Z)-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide.
What is the SMILES notation for (Z)-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide?
The canonical SMILES for (Z)-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide is Cc1nn(CCCNC(=O)/C(=C\c2ccccc2)c2ccccc2)c(C)c1Cl.
What is the InChIKey of (Z)-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide?
The InChIKey is BQUQRVBRKLBPEM-PGMHBOJBSA-N. The full InChI is InChI=1S/C23H24ClN3O/c1-17-22(24)18(2)27(26-17)15-9-14-25-23(28)21(20-12-7-4-8-13-20)16-19-10-5-3-6-11-19/h3-8,10-13,16H,9,14-15H2,1-2H3,(H,25,28)/b21-16-.
What are the key properties of (Z)-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide?
(Z)-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide has a molecular weight of 393.92 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide is sourced from PubChem (CID 19295398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).